2,4,6-Trimethoxypyrimidine
Basic information
- CAS
13106-85-9- Standard SMILES
COc1cc(OC)nc(OC)n1- InChIKey
RJVAFLZWVUIBOU-UHFFFAOYSA-N- Molecular formula
- C7H10N2O3
- Average molar mass
- 170.17 g/mol
- Monoisotopic mass
- 170.06914219
Names & identifiers
- Preferred name
- 2,4,6-Trimethoxypyrimidine
- IUPAC
- 2,4,6-trimethoxypyrimidine
- English name
- 2,4,6-TRIMETHOXYPYRIMIDINE
- Molecular formula
- C7H10N2O3
- Molecular weight
- 170.17
Names & synonyms
2,4,6-Trimethoxypyrimidine13106-85-9RJVAFLZWVUIBOU-UHFFFAOYSA-DTXSID80352453RefChem:82136DTXCID50303518631-335-6InChI=1/C7H10N2O3/c1-10-5-4-6(11-2)9-7(8-5)12-3/h4H,1-3H3Pyrimidine, 2,4,6-trimethoxy-MFCD00829225SCHEMBL439716HMS1661D06
Show more names
2,4,6-Trimethoxypyrimidine 99%2,4,6-TRIMETHOXYPYRIMIDINE ISO 9001：2015 REACH
2,4,6-Trimethoxypyrimidine, 99%STK257528AKOS005423746SB57349AS-31467SY052763CS-01476282,4,6-Trimethoxy-pyrimidine
Database identifiers
- CAS
13106-85-9- PubChem CID
- 726938
- DTXSID
DTXSID80352453- EC Number
- 631-335-6
- Nikkaji
- J1.861.877J
Properties
Computed structural properties
- XLogP
- 1.1
- Topological polar surface area
- 53.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 122
Physicochemical properties
- Melting point
- 51 · 51-54 °C (lit.)
- Boiling point
- 232 °C · 232 °C
- Density
- 1.15 · 1.150±0.06 g/cm3(Predicted)
- storage temp.
- Sealed in dry,Room Temperature
- solubility
- soluble in Methanol
- form
- powder to crystal
- pka
- 1.16 · 1.16±0.30(Predicted)
- color
- White to Almost white
- InChI
- 1S/C7H10N2O3/c1-10-5-4-6(11-2)9-7(8-5)12-3/h4H,1-3H3
- InChIKey
- RJVAFLZWVUIBOU-UHFFFAOYSA-N
- SMILES
- COc1cc(OC)nc(OC)n1
- CAS DataBase Reference
- 13106 · 13106-85-9(CAS DataBase Reference)
- UNSPSC Code
- 12352100 · 12352100
- NACRES
- 22 · NA.22
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 40 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Safety data
- PPE
- dust mask type N95 (US), Eyeshields, Gloves
- wgk
- 3
- hs_code
- 29335995
- risk_code
- 36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- safety_code
- 26-36
- Storage Class
- 11 - Combustible Solids
- target organs
- Respiratory system
- Hazard statements
- H315-H319-H335
- Hazard Classifications
- Eye Irrit. 2Skin Irrit. 2STOT SE 3
- Precautionary statements
- P261-P264-P271-P280-P302+P352-P305+P351+P338
Chemistry & industry
Applications
Uses2,4,6-Trimethoxypyrimidine may be used as a model compound in a study to determine the qualitative composition of mixtures formed during the methylation of barbituric acid and its derivatives by diazomethane.
General Description2,4,6-Trimethoxypyrimidine is a pyrimidine derivative. One of the methods reported for its synthesis is by the reaction of 2,4,6-trichloropyrimidine with sodium ethoxide at 70-100°C. Its transformation into 1,6-dihydro-2,4-dimethoxy-1-methyl-6-oxopyrimidine by Hilbert-Johnson reaction has been reported.
Upstream & downstream products
Upstream raw materials
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Compound notes
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